1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one

C27H26N6O3 — CID 130301986

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C27H26N6O3/c1-16-3-2-4-21-23(16)27(26(35)33(21)15-22-29-24(31-36-22)17-5-6-17)9-11-32(12-10-27)25(34)18-7-8-20-19(13-18)14-28-30-20/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,28,30)
InChIKeyCQCFYLSGVORGLF-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.85
Rot. Bonds4

About 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 130301986) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID130301986
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C27H26N6O3/c1-16-3-2-4-21-23(16)27(26(35)33(21)15-22-29-24(31-36-22)17-5-6-17)9-11-32(12-10-27)25(34)18-7-8-20-19(13-18)14-28-30-20/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,28,30)
InChIKeyCQCFYLSGVORGLF-UHFFFAOYSA-N
XLogP3.85
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10023564, Example 24
CID 118888934
US10023564, Example 22
CID 118888937
US10618897, Example 42
CID 130301963
(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387481
(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
CID 137387728
N-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 137379398
N-(1-methylpyrrolidin-3-yl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379422
(6-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)pyrimidin-2-yl)-1H-indol-2-yl)(pyrrolidin-1-yl)methanone
CID 137387533
US10618897, Example 78
CID 137521843
US11649255, Example 239
CID 163221119
(4R,5R,6S)-4-[4-fluoro-3-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,3-diazinane-5-carboxamide
CID 137349258
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 124185620

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one (CID 130301986) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one is Cc1cccc2c1C1(CCN(C(=O)c3ccc4[nH]ncc4c3)CC1)C(=O)N2Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CQCFYLSGVORGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-16-3-2-4-21-23(16)27(26(35)33(21)15-22-29-24(31-36-22)17-5-6-17)9-11-32(12-10-27)25(34)18-7-8-20-19(13-18)14-28-30-20/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,28,30).
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 482.54 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1'-(1H-indazole-5-carbonyl)-4-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 130301986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).